Geometry & MOs

Info

ID:

432965

PubChem CID:

135173102

Reduced:

N3H33C46 (1)

Stoich.:

A3B33C46 (1)

Weight, g/mol:

659.330048

ΔHf, kcal/mol:

226.82

Dipole, Da:

1.07

IP(EA), eV:

 -8.54(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3Z)-2-[2-[(E)-2-[4-(2-cyclohepta-2,4,6-trien-1-yl-6-phenylpyrimidin-4-yl)phenyl]prop-1-enyl]-3-ethenyl-1-phenylinden-1-yl]penta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(C2(C4=CC=CC=C4)C5=CN=CC=C5)C=C(C=C3)C6=CC=C(C=C6)C7=NC(=NC(=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations